Basic information
- Standard SMILES
N#Cc1ccc(N(CCCCCCCCCCBr)n2cnnc2)cc1- InChIKey
DWGMAMYPIZWPLC-UHFFFAOYSA-N- Molecular formula
- C19H26BrN5
- Average molar mass
- 404.3 g/mol
Names & identifiers
- Preferred name
- 4-[(10-Bromo-decyl)-[1,2,4]triazol-4-yl-amino]-benzonitrile
- IUPAC
- 4-[10-bromodecyl(1,2,4-triazol-4-yl)amino]benzonitrile
Names & synonyms
SCHEMBL3242030DWGMAMYPIZWPLC-UHFFFAOYSA-N4-[(10-Bromo-decyl)-[1,2,4]triazol-4-yl-amino]-benzonitrile
Database identifiers
- PubChem CID
- 21976918
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 57.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 12
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 383
Related reactions
4 records
Compound notes
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